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552 records · Page 22

Uniaxial stress effect on the electronic structure of quantum materials

Uniaxial stress has proven to be a powerful experimental tuning parameter for effectively controlling lattice, charge, orbital, and spin degrees of freedom in quantum materials. In addition, its ability to manipulate the symmetry of materials has garnered significant attention. Recent technical progress to combine uniaxial stress cells with quantum oscillation and angle-resolved photoemission techniques allowed to study the electronic structure as function of uniaxial stress. This review provides an overview on experimental advancements in methods and examines studies on diverse quantum materials, encompassing the semimetal WTe2, the unconventional superconductor Sr2RuO4, Fe-based superconductors, and topological materials.

FOS: Physical sciences

Draft ASME Code Case to qualify L-PBF 316H material for Section III, Division 5 applications

This report documents the AMMT program’s development and submission of a draft ASME Code Case to qualify Laser Powder Bed Fusion (L PBF) Type 316H stainless steel for Section III, Divi-sion 5 Class A and SM high temperature nuclear applications. It summarizes the technical basis, the comprehensive high temperature mechanical test database assembled between 2023–2026, and the proposed code language and qualification framework submitted to ASME. The work was co-ordinated across multiple national laboratories and leverages prior ASME efforts to integrate additive manufacturing into the Boiler & Pressure Vessel Code. The body of the report describes the experimental database and analysis supporting the Code Case: tensile, creep, fatigue, creep fatigue, and thermal aging tests collected from multiple additive manufacturing sites, machine types, and powder lots, with material processed by a solution anneal heat treatment. The dataset — including both full size and subsized specimens and tests oriented parallel and perpendicular to build direction — shows limited tensile anisotropy, tensile properties comparable to wrought 316H, creep strength within the scatter of wrought material, but markedly reduced creep ductility above about 650 °C associated with rapid σ phase formation in L PBF microstructures. The draft Code Case itself prescribes a staged qualification model (manufacturing process qualification, component qualification, and per build witness testing), treats L PBF components as equivalent to Type 316 weld metal for design and inspection, and requires mechanical, chemical, and metallographic controls tied to ASTM/ISO 52946. Key acceptance criteria include tensile tests within a 90% prediction interval of the AMMT dataset, a creep fatigue screening test adapted from ASME Section III, Division 5, Subsection HB, HBB 2800 but with the cycle acceptance reduced to 100 for L PBF material, and double volumetric inspection of production components. The report concludes that the present data support treating L PBF 316H as analogous to conventional fusion weld metal for Division 5 design and inspection, while highlighting important caveats: the σ phase driven loss of creep ductility above ~650 °C, preliminary indications of enhanced creep fatigue sensitivity in some lots, and remaining gaps in long term aging and additional cyclic testing. Recommended next actions include completing outstanding cyclic and long duration creep/aging tests on the solution annealed condition, supporting inclusion of the 316H chemistry and heat treatment in ASTM/ISO 52946, and continuing engagement with ASME and NRC during balloting and review to enable industry adoption.

Messner, Mark C. (ORCID:0000000200404385)

Flexible and Extensive Platinum Ion Gel Condensers for Programmable Catalysis

Catalytic condensers composed of ion gels separating a metal electrode from a platinum-on-carbon active layer were fabricated and characterized to achieve more powerful, high surface area dynamic heterogeneous catalyst surfaces. Ion gels comprised of poly(vinylidene difluoride)/1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide were spin coated as a 3.8 μm film on a Au surface, after which carbon sputtering of a 1.8 nm carbon film and electron-beam evaporation of 2 nm Pt clusters created an active surface exposed to reactant gases. Electronic characterization indicated that most charge condensed within the Pt nanoclusters upon application of a potential bias, with the condenser device achieving a capacitance of ∼20 μF/cm 2 at applied frequencies of up to 120 Hz. The maximum charge of ∼10 14 |e – | cm –2 was condensed under stable device conditions at 200 °C on catalytic films with ∼10 15 sites cm –2 . Grazing incidence infrared spectroscopy measured carbon monoxide adsorption isobars, indicating a change in the CO* binding energy of ∼19 kJ mol –1 over an applied potential bias of only 1.25 V. Condensers were also fabricated on flexible, large area Kapton substrates allowing stacked or tubular form factors that facilitate high volumetric active site densities, ultimately enabling a fast and powerful catalytic condenser that can be fabricated for programmable catalysis applications.

Catalysis

First-principles DFT modeling of nitrobenzene adsorption on the Ag(111) surface at varying monolayer coverages

Here, the adsorption behavior of nitrobenzene on the Ag(111) surface as a function of coverage is investigated using density functional theory. Adsorption energies and optimized geometries are analyzed together with isolated intermolecular interaction calculations and electronic structure analysis, including Bader charge partitioning and projected density of states, to disentangle the roles of adsorbate–surface bonding and through-space adsorbate–adsorbate interactions. At low and intermediate coverages (θ = 1/9 and θ = 2/9), bidentate adsorption at top sites is favored due to strong adsorbate–surface interactions, with additional stabilization at θ = 2/9 arising from favorable intermolecular separations. At higher coverage (θ = 1/3), bidentate adsorption is destabilized by strong intermolecular repulsion, and monodentate adsorption becomes energetically preferred as rotational freedom allows more favorable intermolecular spacing. Charge density differences, Bader charge, and density of states analyses show that charge transfer from the Ag surface is localized primarily on the nitro group and increases with coverage and adsorption denticity, although this increase does not directly correlate with adsorption strength at high coverage due to competing intermolecular interactions. These results demonstrate that surface coverage can induce a transition in preferred adsorption denticity driven by intermolecular interactions, highlighting the importance of adsorbate packing in organic molecule adsorption at metal interfaces.

36 MATERIALS SCIENCE

Resilience Strategies to Ensure Water Supply Continuity During Extended Grid Outages

The towns of Edgartown, Oak Bluffs and Tisbury, on the island of Martha’s Vineyard, MA, are concerned about the effect of prolonged grid outages on continuity of their water supply. Water pumping stations operated by the water utilities that currently serve each of the towns currently have backup power generation that can support water delivery for up to one week during peak water demand periods. Sandia advised on options to extend water supply to two weeks.

Mammoli, Andrea Alberto [Sandia National Laborator

Rapid Quantum Ground State Preparation via Dissipative Dynamics

Inspired by natural cooling processes, dissipation has become a promising approach for preparing low-energy states of quantum systems. However, the potential of dissipative protocols remains unclear beyond certain commuting Hamiltonians. This work provides significant analytical and numerical insights into the power of dissipation for preparing the ground state of noncommuting Hamiltonians. For quasi-free dissipative dynamics, including certain 1D spin systems with boundary dissipation, our results reveal a new connection between the mixing time in trace distance and the spectral properties of a non-Hermitian Hamiltonian, leading to an explicit and sharp bound on the mixing time that scales polynomially with system size. For more general spin systems, we develop a tensor network-based algorithm for constructing the Lindblad jump operator and for simulating the dynamics. Using this algorithm, we demonstrate numerically that dissipative ground state preparation protocols can achieve rapid mixing for certain 1D local Hamiltonians under bulk dissipation, with a mixing time that scales logarithmically with the system size. We then prove the rapid mixing result for certain weakly interacting spin and fermionic systems in arbitrary dimensions, extending recent results for high-temperature quantum Gibbs samplers to the zero-temperature regime. Together, these results show that dissipation can be a powerful tool for ground state preparation, with potential applications across condensed matter physics, quantum materials science, and beyond.

decoherence

Vehicle Technologies Program: Energy Storage R&D (2008 Annual Progress Report)

One of the primary objectives of the Energy Storage effort is the development of durable and affordable advanced batteries (and ultracapacitors) for use in a full range of vehicle applications, from start/stop to full-power HEVs, EVs, and PHEVs. The battery technology development activity spans three areas: system development of full battery systems; benchmark testing of emerging technologies in order to remain abreast of the latest industry developments; and Small Business Innovative Research (SBIR) to fund early-stage R&D for small businesses/entrepreneurs.

25 ENERGY STORAGE

Dronebase Photovoltaic (PV) Fleet Imagery Quantitative Evaluation (CRADA CRD-22-22941 Final Report)

Combine the Dronebase aerial imagery with corresponding sites in the NLR Photovoltaic (PV) Fleets database. By combining these two data sources in an aggregated, anonymized fashion, we can perform the following analyses: quantifying power loss due to outages caused by stuck trackers, string outages, and shading/snow, validate site metadata, including tilt and azimuth, and correlate.

14 SOLAR ENERGY

A Unified Scaling Framework for Comparative Analysis of Major Electrical Machine Topologies

This paper presents a unified framework for comparing major electrical machine topologies under identical output and thermal constraints, with emphasis on supply-chain-aware selection among rare-earth-intensive, reduced-rare-earth, and rare-earth-free solutions. Using power factor and air-gap flux density as the principal descriptors, the framework links topology choice to relative size, copper demand, magnet dependence, cost sensitivity, and inertia. To support robust early-stage screening, the deterministic scaling model is combined with uncertainty representation, Monte Carlo scenario propagation, and hesitationaware ranking. The results show that rare-earth-rich machines remain compact and dense, whereas reduced-rare-earth and rare-earth-free alternatives become more attractive under specific material-risk and cost scenarios.

Kumar, Praveen [ORNL] (ORCID:0000000291877857)

Postanaerobic Digestion Manure Fibers as a Renewable Source of Lignin-Derived Aromatic Compounds for Microbial Upgrading

Abstract Postanaerobic digestion manure fibers are an abundant solid residue that remains underutilized. The substantial lignocellulosic content of digested manure opens the possibility of using it as a renewable resource for producing valuable products. In this study, we performed compositional and nuclear magnetic resonance analyses to determine lignin content and aromatic composition of these fibers. Additionally, alkaline-based treatment and reductive catalytic fractionation were evaluated as two different processes to produce aromatic-rich streams. The liquor from the alkaline treatment was subsequently utilized for microbial upgrading to produce 2-pyrone-4,6-dicarboxylic acid (PDC). The results showed that lignin in manure fibers represents 30% of the biomass (dry weight basis), with a ∼26% abundance of β-ether-linked aromatics and ∼13% p-coumarate moieties, indicating that the amount of lignin in the postanaerobic biomass is comparable to a moderately pretreated plant biomass. The alkaline treatment released 5.6 g aromatics/kg fibers, while reductive catalytic fractionation produced 14.0 g aromatics/kg fibers. A bioreactor operated in fed-batch mode produced a yield of ∼1 mol of PDC/mol measured aromatics at a rate of 0.2 g PDC/L·h and a titer of 2.6 g PDC/L. This study demonstrates how postanaerobic digestion manure fibers could be used in a circular bioeconomy by harnessing their lignocellulosic content to extract aromatic compounds and use them for obtaining valuable chemicals via microbial upgrading.

Riascos, Brayan D. [University of Wisconsin-Madiso

Machine Learning for Multipactor Susceptibility Prediction in Planar RF Gaps

Multipactor discharge is a nonlinear electron avalanche that limits the performance of high-power radio-frequency (RF) and vacuum electronic devices. Predicting multipactor susceptibility traditionally relies on Monte Carlo or particle-in-cell (PIC) simulations, which become computationally expensive for large parametric studies. In this work, we present a supervised machine-learning (ML) framework for prediction of multipactor susceptibility in a two-surface planar geometry. The models are trained using high-fidelity PIC simulation generated susceptibility data and learn the relationship between operational parameters, geometry, and material-dependent secondary electron emission properties. The proposed approach enables rapid reconstruction of susceptibility charts while preserving the physical structure of multipactor growth regions.

43 PARTICLE ACCELERATORS

Four Years of Type Ia Supernovae Observed by TESS: Early-time Light-curve Shapes and Constraints on Companion Interaction Models

Abstract We present 307 type Ia supernova (SN) light curves from the first 4 yr of the Transiting Exoplanet Survey Satellite mission. We use this sample to characterize the shapes of the early-time light curves, measure the rise times from first light to peak, and search for companion star interactions. Using simulations, we show that light curves must have noise <10% of the peak flux to avoid biases in the early-time light-curve shape, restricting our quantitative analysis to 74 light curves. We find that the mean power-law index t β 1 of the early-time light curves isβ 1 = 1.93 ± 0.57, and the mean rise time to peak is 15.7 ± 3.5 days. The underlying population distribution forβ 1 may instead consist of a Gaussian component with mean 2.29, width 0.34, and a long tail extending to values less than 1.0. We find that the data can rarely distinguish between models with and without companion interaction models. Nevertheless, we find three high-quality light curves that tentatively prefer the addition of a companion interaction model, but the statistical evidence for the companion interactions is not robust. We also find two SNe that disfavor the addition of a companion interaction model to a curved power-law model. Taking the 74 SNe together, we calculate 3σupper limits on the presence of companion signatures to control for orientation effects that can hide companions in individual light curves. Our results rule out common progenitor systems with companions having Roche lobe radii >31R ⊙ (separations >5.7 × 10 12 cm, 99.9% confidence level) and disfavor companions having Roche lobe radii >10R ⊙ (separations >1.9 × 10 12 cm, 95% confidence level). Lastly, we discuss the implications of our results for the intrinsic fraction of single degenerate progenitor systems.

Astronomy & Astrophysics

Pinning ångström-size solid ionic channels for rare-earth element separation

High-purity rare-earth elements are essential for modern technologies, yet current solvent extraction processes are energy-intensive and environmentally harmful because of inadequate selectivity and ligand toxicity. Although combining size exclusion and binding affinity can improve lanthanide separation, the role of long-range confinement remains underexplored. Here we report lanthanide separation in aqueous systems using extremely confined manganese oxide solid ionic channels with optimized layer spacing. Different lanthanides induce distinct solid-state phase transformations in manganese oxide, creating a strong driving force for separation. Two lanthanide groups, differing by ~1.4 Å in spacing, were identified and confirmed to be stable by density functional theory. The narrower confinement of heavier Group II lanthanides improves cross-group separation by increasing the dehydration barrier for lighter Group I lanthanides without inducing strong binding. Here, we further developed a strategy to pin the confinement dimensions and enhance same-group separation, increasing enrichment factors for La–Nd and La–Pr pairs from 1.6 ± 0.1 and 1.5 ± 0.1 to 5.4 ± 0.1 and 4.2 ± 0.1, respectively.

Chemical engineering

Reliability Assessment of Solid-State Circuit Breakers (CRADA CRD-21-21469, Project 4 Final Report)

Growth in power requirements and the complexity of emerging distribution systems are creating the need for new solid-state products for many applications. The qualification requirements, testing standards and life-cycle management practices of solid-state devices used in protection applications is not established. The project will leverage newly developed accelerated testing capabilities design specifically for protection applications to generate large data sets that will enable advanced digital techniques for data analysis and embedded health monitoring.

14 SOLAR ENERGY

Final Report: A Multi-Channel Fusion Product

The goal of this project was to measure charged fusion products from the d(d,p)t reaction in MAST-U plasmas as a function of time and position with good energy resolution using a system of up to six charged particle detectors. The data from this new diagnostic will make it possible to determine the neutral beam ion density profile as a function of R, z, and t with reduced model dependency and contribute new information to a global analysis of fast ion diagnostic data needed for the determination of the fast ion distribution function (velocity space tomography).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Process control-enabled mitigation of microstructural and plastic heterogeneities in additively manufactured Grade 91 steel

Synergizing wire arc-directed energy deposition (WA-DED) additive manufacturing (AM) with particle-strengthened creep strength-enhanced ferritic (CSEF) steels enables fabrication and repair of critical power-plant components. Investigations focused on fusion-welded particle-strengthened CSEF steels, such as Grade 91 steel, have linked microstructurally heterogeneous regions—forming due to heat affected zones (HAZ)—with premature failure during elevated temperature service. Fusion-based AM, including WA-DED, likewise generates microstructurally and plastically heterogeneous regions due to spatiotemporally varying thermokinetics during deposition. However, works investigating such microstructural heterogeneities, their implications for mechanical behavior, and strategies to mitigate their formation remain scarce. This work identifies microstructurally and plastically heterogeneous regions within the WA-DED-processed Grade 91 steel. Spatial microhardness variations in the as-fabricated specimen correlate with the variation in the attributes of grain, martensitic microstructure, and precipitates across the fusion zone and HAZ. Digital image correlation-enabled tensile tests performed at 500 °C revealed pronounced deformation localization and a wave-like strain distribution, with wavelength close to the melt pool depth, indicating susceptibility of the as-fabricated components to premature creep failure. Such heterogeneity in microstructural and mechanical behavior was attributed to recurring solid-state phase transformations. Subsequently, an interlayer temperature control strategy was implemented, wherein maintaining interlayer temperature above the martensitic start temperature mitigated the heterogeneous microstructural and plastic response in the as-fabricated condition. Findings open pathways to achieving deformation-localization- and creep-resistant microstructures in WA-DED fabricated particle-strengthened CSEF steel components, reducing reliance on post-welding heat treatments—conventionally required to enhance creep resistance—and enabling on-demand, short lead-time fabrication of next-generation power-plant components.

Heat affected zones

Automation of Solid Oxyde Electrolyzer Cell (SOEC) & Stack Assembly

The work performed under this agreement before the No/Go decision amounted to the following: 1. Preliminary manufacturing requirements defined by business sensitivity, baseline processes & risk assessment; 2. Process & materials development, in-line gauge exploration, and preliminary automation work used to reduce risk & further refine equipment specifications; 3. “Request for Quote” issued to multiple suppliers for major equipment; 4. Application specific equipment, hardware, and fixturing will be more beneficial to fabricate inhouse; 5.Current proposals & estimates meet cycle time, capital spend, & direct labor; space is on target but requires awareness; 6. Team will continue to explore opportunities to reduce risk (dry time, traceability); 7. Go / No-Go, Purchase Orders, Equipment build & commissioning next All other future task were not completed because during the Go /No-Go decision it was confirmed this project was a "No-Go" and did not proceed past BP1; these included the following: 1. Preliminary manufacturing requirements defined by business sensitivity, baseline processes & risk assessment; 2. Process & materials development, in-line gauge exploration, and preliminary automation work used to reduce risk & further refine equipment specifications; 3. “Request for Quote” issued to multiple suppliers for major equipment; 4. Application specific equipment, hardware, and fixturing will be more beneficial to fabricate inhouse; 5. Current proposals & estimates meet cycle time, capital spend, & direct labor; space is on target but requires awareness; 6. Team will continue to explore opportunities to reduce risk (dry time, traceability) In final preparation of the termination of the Automation of Solid Oxyde Electrolyzer Cell (SOEC) & Stack Assembly, Cummins has purchased no equipment with government funds, and there is no government-owned property in Cummins possession related to this project. Minimal labor and travel were completed and paid. This acts as the Final technical report and concludes our business with DOE on this grant.

36 MATERIALS SCIENCE

Insights into mixing of non-isothermal multi-polymer melts for complex plastics recycling

Catalytic recycling or upcycling of plastics is often limited not by catalyst performance, but by transport, arising from highly viscous, non-Newtonian polymer melts. In this work, we develop a reactor-scale framework that integrates rheological measurements, constitutive modeling, computational fluid dynamics (CFD), and experiments to quantify mixing, heat transfer, and dispersion in surrogate hydrocarbon melts representing mixed plastics systems. Temperature- and shear rate-dependent viscosity of low-density polyethylene (LDPE) and high-density polyethylene (HDPE) is measured to create two surrogate polymers (PLD and PHD) that capture the dominant shear-thinning flow behavior while neglecting strong elastic effects, enabling tractable simulation of non-isothermal, polymer-melt mixing using a Carreau-Arrhenius generalized Newtonian framework. Three-dimensional CFD simulations are employed to evaluate impeller performance in PLD using mixing time, cavern volume, thermal uniformity, and interfacial area for regimes in which viscoelastic effects are not dominant. We show that magnetic stir bars commonly used in lab-scale studies produce large thermal gradients (~60 °C) and poor mixing, even under idealized power delivery and polymer flow conditions. In contrast, close-clearance anchor impellers achieve near-isothermal operation, reduce mixing times by up to 5×, and provide >90% active circulation volume. We further demonstrate that, at low pseudo-Deborah number (De*), motor power requirements can be predicted directly from shear rate-dependent rheology using the Carreau-Arrhenius framework, enabling rational selection of operating conditions. Extension to surrogate immiscible multi-polymer systems based on PLD and PHD shows that interfacial area is highly sensitive to operating conditions and impeller design, with coaxial anchor-turbine configurations enhancing dispersion by up to 4 × .

Close-clearance impellers